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Combined display of all available logs of DISI. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 19:54, 6 February 2025 Frodo talk contribs deleted page How to be someone (content was: "This page collects references to articles about "how to be ..." a particular person. They document protocols, procedures, and information that otherwise does not seem to have found a home. Category:Sysadmin", and the only contributor was "Frodo" (talk))
• 19:52, 6 February 2025 Frodo talk contribs created page Code to report wynton usage by year (asdf)
• 18:55, 5 February 2025 Frodo talk contribs created page INDOCK 3.8 (asdf)
• 19:11, 30 January 2025 Frodo talk contribs created page Category:In progress (asdf)
• 19:10, 30 January 2025 Frodo talk contribs created page Things we are trying (asdf)
• 01:14, 30 January 2025 Frodo talk contribs created page Category:Protocols (asdf)
• 01:14, 30 January 2025 Frodo talk contribs created page Protocols (asdf)
• 20:17, 24 January 2025 Khtang talk contribs created page CHARMM (Created page with "CHARMM is a molecular simulation software from Harvard. = Install CHARMM = == Requirements == gcc --version * Upgrade to at least GCC 7 ( if need) https://linuxhostsupport.com/blog/how-to-install-gcc-on-centos-7/ * Upgrade Cmake (version 3+) Please make sure that you are using the same C and Fortran compiler version for these dependencies below otherwise CHARMM won’t compile wget https://cmake.org/files/v3.20/cmake-3.20.5.tar.gz tar xvzf cmake-3.20.5.tar.gz cd...")
• 07:51, 14 January 2025 Khtang talk contribs moved page Add Tools18 module to Add TLDR module without leaving a redirect
• 19:48, 7 January 2025 Khtang talk contribs created page User talk:Sstrizhov (Welcome!)
• 19:48, 7 January 2025 Khtang talk contribs created page User:Sstrizhov (Creating user page for new user.)
• 19:48, 7 January 2025 User account Sstrizhov talk contribs was created by Khtang talk contribs and password was sent by email (serge's account)
• 18:50, 8 December 2024 Frodo talk contribs created page Zinc-22r (asdf)
• 21:55, 6 December 2024 Omailhot talk contribs created page Small change analogs (Created page with "'''Step 0: source my environment''' All I'm developing is part of a single Python package called bksltk (BKS-lab Toolkit). So just source my Python environment on gimel2 (or other gimelX which has Python3) and you'll have access to everything: source /nfs/home/omailhot/pyenv_source.sh Then, you can use the get_all_analogs_smiles_set() method from the toolkit, which will return all smiles of small change analogs, starting from a single smiles string: from bksltk.an...")
• 23:42, 26 November 2024 Frodo talk contribs created page Getting resh up (asdf)
• 19:45, 26 November 2024 Omailhot talk contribs created page Combinatorial analogs (Created page with "Here's an example of how to generate combinatorial analogs from the same parent. Make sure to source my environment first: source /nfs/home/omailhot/pyenv_source.sh Then, you will want to create a .png file of your parent with standard numbering on it. We'll use etomidate in this example: from bksltk.analogs import write_numbered_parent_png, make_analogs_combinations eto_smiles = 'CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2' write_numbered_parent_png(eto_smiles, 'test_p...")
• 16:33, 22 November 2024 Frodo talk contribs created page News of 2024-12 Dec (asdf)
• 16:27, 22 November 2024 Frodo talk contribs moved page ZINC-news-2010 to News of 2010-06
• 16:26, 22 November 2024 Frodo talk contribs moved page ZINC-22:Revision of Feb 23 to News of 2023-02 Feb
• 16:25, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Mar-22 to News of 2022-03 Mar
• 16:25, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Feb-22 to News of 2022-02 Feb
• 16:24, 22 November 2024 Frodo talk contribs moved page ZINC-22 news of Jan-22 to News of 2021-12 Dec
• 16:24, 22 November 2024 Frodo talk contribs moved page News of 2021-01 Jan to News of 2022-01 Jan
• 16:23, 22 November 2024 Frodo talk contribs moved page ZINC-22 Clean Up in Jan 2022 to News of 2021-01 Jan
• 16:22, 22 November 2024 Frodo talk contribs moved page News of Nov-24 to News of 2024-11 Nov
• 14:18, 22 November 2024 Frodo talk contribs created page Large scale docking strategy (asdf)
• 19:08, 14 November 2024 Frodo talk contribs created page News of Nov-24 (asdf)
• 17:26, 1 November 2024 Frodo talk contribs created page Friendly reminder (asdf)
• 23:10, 21 October 2024 Frodo talk contribs created page Transition to cluster 7 (asd)
• 22:06, 18 October 2024 Jocastanon talk contribs moved page ZINC20Warehousing Scripts to ZINC20 Warehousing Scripts
• 22:06, 18 October 2024 Jocastanon talk contribs moved page ZINC15 Warehousing Scripts to ZINC20Warehousing Scripts (Accidentally tagged as Zinc15)
• 22:05, 18 October 2024 Jocastanon talk contribs created page ZINC15 Warehousing Scripts (Created page with "<div id="mainpage"></div><!--")
• 20:09, 4 October 2024 Jgutierrez6 talk contribs deleted page How to download zinc-22 using rsync (Redundant)
• 20:09, 4 October 2024 Jgutierrez6 talk contribs created page How To Use Rsync (Created page with "== How to download zinc-22 using rsync == Ok, you can try this rsync -Larv --include='*/' --include='[a-z]/H[01]?*-*db2.tgz' --exclude='sets' --exclude='*' --verbose rsync://files.docking.org/ZINC22-3D/zinc-22<?> . (all on one line) where <?> is d g h i k l m n o p q r s t u v x n is 50% of the database x is 25% g is "informer set" This will get you all molecules in the "?" layer of ZINC-22. with the db2 format. If you want sdf, mol2 or pdbqt, just change db2...")
• 22:11, 2 October 2024 Sevigneron talk contribs created page IFP Filtering on Wynton (Created page with "Seth Vigneron Oct 2024 IFP filtering on wynton proceeds in almost the exact same way as on our gimel cluster. Note the conda environment sourced uses the same older versions of python and LUNA as JK's original scripts on gimel, so wynton is not using any updated versions of any software and still runs the same IFP protocol. 1. Run getposes script following your screen. 2. Make split mol2 files to be run in parallel ls $PWD/poses_extract_for_getposes_parallel_*mol2 >")
• 20:55, 24 September 2024 Frodo talk contribs created page News of 2024-10 Oct (asdf)
• 20:52, 24 September 2024 Frodo talk contribs moved page News of June-2024 to News of 2024-06 Jun
• 20:52, 24 September 2024 Frodo talk contribs deleted page News of 2024-06 Jun (content was: "This is a news update for June 2024. * we fixed a typo bug in the cartblanche22 download scripts. * we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon. Category:News", and the only contributor was "Frodo" (talk))
• 20:51, 24 September 2024 Frodo talk contribs moved page News of Aug-2024 to News of 2024-08 Aug
• 20:51, 24 September 2024 Frodo talk contribs moved page News 2024-06 Jun to News of 2024-06 Jun
• 20:50, 24 September 2024 Frodo talk contribs moved page News June-2024 to News 2024-06 Jun
• 20:50, 24 September 2024 Frodo talk contribs moved page News of Sep-2024 to News of 2024-09 Sept
• 20:50, 24 September 2024 Frodo talk contribs moved page News May-2024 to News of 2024-05 May
• 20:49, 24 September 2024 Frodo talk contribs moved page ZINC-22 rearrangement of May-24 to ZINC-22 rearrangement of May-2024
• 20:49, 24 September 2024 Frodo talk contribs moved page News June-24 to News June-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News May-24 to News May-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of Aug-24 to News of Aug-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of June-24 to News of June-2024
• 20:48, 24 September 2024 Frodo talk contribs moved page News of Sep-24 to News of Sep-2024
• 19:06, 19 September 2024 Zdingman talk contribs created page Zoey's way of filtering LSD (Created page with "This is my current method (2024-09) of filtering LSD results, and the culmination of discussion with several other lab members to determine the "best" way to filter LSD results. Procedures below are adapted from various other lab sources. '''Step 0: Source the environment and copy over relevant files''' '''Step 1: Interaction fingerprinting''' '''Step 2: Novelty filtering''' I've been making use of Olivier's method for novelty, which can be Olivier's way of computin...")